| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50611335 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2283056 |
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| IC50 | 40±n/a nM |
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| Citation |  Elattar, KM; El-Khateeb, AY; Hamed, SE Insights into the recent progress in the medicinal chemistry of pyranopyrimidine analogs. RSC Med Chem13:522-567 (2022) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin G/H synthase 2 |
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| Name: | Prostaglandin G/H synthase 2 |
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| Synonyms: | COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Protein |
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| Mol. Mass.: | 68976.98 |
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| Organism: | Ovis aries (Sheep) |
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| Description: | n/a |
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| Residue: | 603 |
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| Sequence: | MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLT
RIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYS
YKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTN
LMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQ
MINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDV
LKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQN
RIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVA
GRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALY
GDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVG
FKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERS
TEL
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| BDBM50611335 |
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| n/a |
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| Name | BDBM50611335 |
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| Synonyms: | CHEMBL5279318 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19ClN4O8S |
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| Mol. Mass. | 510.905 |
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| SMILES | O[C@H]1O[C@@](O)(CNC2=C(C#N)C(c3ccc(Cl)cc3)c3c(O2)[nH]c(=S)[nH]c3=O)[C@H](O)[C@H](O)[C@@H]1O |r,c:7| |
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| Structure | 
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